A benzothiazolium derivative as a fluorescent ligand was studied by the quantum chemical calculations, including research on the synthesis process, characteristics and applications. The calculated results showed that its complex with Hg(II) ions can be used as a fluorescent sensor for detection of cysteine. These findings have opened up opportunities for the use of previously reported complexes as well as new complexes between Hg(II) and fluorescent ligands for detection of cysteine. | Vietnam Journal of Chemistry, International Edition, 55(6): 700-707, 2017 DOI: A quantum chemical study on the use of complexes between Hg(II) ions and fluorescent ligands for detection of cysteine Doan Thanh Nhan1,4, Nguyen Thi Ai Nhung2, Nguyen Khoa Hien3, Duong Tuan Quang4* 1 Kontum Department of Education and Training, Kontum Provinve 2 Department of Chemistry - Hue University of Sciences, Hue University, Hue City 3 Mientrung Institute for Scientific Research, Vietnam Academy of Science and Technology, Hue City 4 Department of Chemistry - Hue University of Education, Hue University, Hue City Received 10 August 2016; Accepted for publication 29 December 2017 Abstract A benzothiazolium derivative as a fluorescent ligand was studied by the quantum chemical calculations, including research on the synthesis process, characteristics and applications. The calculated results showed that its complex with Hg(II) ions can be used as a fluorescent sensor for detection of cysteine. These findings have opened up opportunities for the use of previously reported complexes as well as new complexes between Hg(II) and fluorescent ligands for detection of cysteine. Keywords. Fluorescence, chemosensor, mercury, complexation, cysteine. 1. INTRODUCTION Thiol biomolecules are important sulfur containing compounds in biological processes. The metabolism and transportation of biothiols, including cysteine (H2Cys), homocysteine (Hcy) and glutathione (GSH) are related to the important enzymes and proteins in biological systems. The abnormality of endogenous concentrations of these biothiols are unusual expressions on the functional state of the proteins and enzymes and associated with diseases [1]. For example, diseases such as liver damage, skin lesions, and slowed growth are thought to be relate to the abnormality of concentrations of cysteine [2]. The free GSH and its oxidized state play an important role in maintaining the redox environment .
